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Name | SCHEMBL2347544 |
---|---|
Molecular formula | C31H38N4O2 |
IUPAC name | N-[[(3S,5S)-3-(2-aminoethyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3,4-dimethylbenzamide |
Molecular weight | 498.671 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.1 |
Synonyms | BDBM231894 US9340517, 281 CHEMBL3970807 |
Inchi Key | BTIWBRIJMDPPKC-YTMVLYRLSA-N |
Inchi ID | InChI=1S/C31H38N4O2/c1-22-13-14-26(19-23(22)2)30(36)33-20-27-16-18-35(31(37)29(34-27)15-17-32)21-28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,19,27-29,34H,15-18,20-21,32H2,1-2H3,(H,33,36)/t27-,29-/m0/s1 |
PubChem CID | 57854280 |
ChEMBL | CHEMBL3970807 |
IUPHAR | N/A |
BindingDB | 231894 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
534037 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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